N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide

C11H22FNO2S — CID 71918597

IUPACN-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide
SMILESCCC1(CNS(=O)(=O)CCCF)CCCC1
InChIInChI=1S/C11H22FNO2S/c1-2-11(6-3-4-7-11)10-13-16(14,15)9-5-8-12/h13H,2-10H2,1H3
InChIKeySGUBXZRQRWKWLS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds7

About N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide

N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide (PubChem CID 71918597) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide
PubChem CID71918597
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide
SMILESCCC1(CNS(=O)(=O)CCCF)CCCC1
InChIInChI=1S/C11H22FNO2S/c1-2-11(6-3-4-7-11)10-13-16(14,15)9-5-8-12/h13H,2-10H2,1H3
InChIKeySGUBXZRQRWKWLS-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide (CID 71918597) is N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide is CCC1(CNS(=O)(=O)CCCF)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is SGUBXZRQRWKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-2-11(6-3-4-7-11)10-13-16(14,15)9-5-8-12/h13H,2-10H2,1H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide?
N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 251.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 71918597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).